3-but-2-enylidene-4-methyl-4H-pyridine

C10H13N — CID 123635284

IUPAC3-but-2-enylidene-4-methyl-4H-pyridine
SMILESCC=CC=C1C=NC=CC1C
InChIInChI=1S/C10H13N/c1-3-4-5-10-8-11-7-6-9(10)2/h3-9H,1-2H3
InChIKeyPSADUJFRPRIMKK-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.72
Rot. Bonds1

About 3-but-2-enylidene-4-methyl-4H-pyridine

3-but-2-enylidene-4-methyl-4H-pyridine (PubChem CID 123635284) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-but-2-enylidene-4-methyl-4H-pyridine.

Molecular Properties

Compound Name3-but-2-enylidene-4-methyl-4H-pyridine
PubChem CID123635284
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-but-2-enylidene-4-methyl-4H-pyridine
SMILESCC=CC=C1C=NC=CC1C
InChIInChI=1S/C10H13N/c1-3-4-5-10-8-11-7-6-9(10)2/h3-9H,1-2H3
InChIKeyPSADUJFRPRIMKK-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-but-2-enylidene-4-methyl-4H-pyridine?
The IUPAC name of 3-but-2-enylidene-4-methyl-4H-pyridine (CID 123635284) is 3-but-2-enylidene-4-methyl-4H-pyridine.
What is the SMILES notation for 3-but-2-enylidene-4-methyl-4H-pyridine?
The canonical SMILES for 3-but-2-enylidene-4-methyl-4H-pyridine is CC=CC=C1C=NC=CC1C.
What is the InChIKey of 3-but-2-enylidene-4-methyl-4H-pyridine?
The InChIKey is PSADUJFRPRIMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-3-4-5-10-8-11-7-6-9(10)2/h3-9H,1-2H3.
What are the key properties of 3-but-2-enylidene-4-methyl-4H-pyridine?
3-but-2-enylidene-4-methyl-4H-pyridine has a molecular weight of 147.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enylidene-4-methyl-4H-pyridine is sourced from PubChem (CID 123635284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).